CID 55267383

886593-45-9

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=CC=C(C=C1)C(C)(C)O)(O)O
InChI
InChI=1S/C9H13BO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11-13H,1-2H3
InChIKey
DPIDNFWCDMXMDY-UHFFFAOYSA-N
Compound name
[4-(2-hydroxypropan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 137.5
[M+Na]+ 203.08500 144.3
[M-H]- 179.08850 137.4
[M+NH4]+ 198.12960 155.7
[M+K]+ 219.05894 142.1
[M+H-H2O]+ 163.09304 133.1
[M+HCOO]- 225.09398 155.5
[M+CH3COO]- 239.10963 174.5
[M+Na-2H]- 201.07045 142.7
[M]+ 180.09523 135.8
[M]- 180.09633 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe